Cas no 376623-69-7 (Ethyl 3-(4-methoxyphenyl)isoxazole-5-carboxylate)

Ethyl 3-(4-methoxyphenyl)isoxazole-5-carboxylate is a versatile isoxazole derivative with applications in pharmaceutical and agrochemical research. Its structure features a 4-methoxyphenyl group and an ethyl ester moiety, offering reactivity for further functionalization. The compound serves as a key intermediate in synthesizing bioactive molecules, particularly in the development of heterocyclic compounds with potential antimicrobial or anti-inflammatory properties. Its stability under standard conditions and compatibility with common organic solvents enhance its utility in multistep synthetic routes. The presence of the methoxy group may influence electronic properties, making it valuable for structure-activity relationship studies. This compound is typically characterized by HPLC, NMR, and mass spectrometry for purity verification.
Ethyl 3-(4-methoxyphenyl)isoxazole-5-carboxylate structure
376623-69-7 structure
Product Name:Ethyl 3-(4-methoxyphenyl)isoxazole-5-carboxylate
CAS No:376623-69-7
MF:C13H13NO4
MW:247.246623754501
MDL:MFCD02737742
CID:922477
PubChem ID:776513
Update Time:2025-05-28

Ethyl 3-(4-methoxyphenyl)isoxazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(4-methoxyphenyl)isoxazole-5-carboxylate
    • ethyl 3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylate
    • ETHYL 5-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXYLATE
    • AK120909
    • 3-(4-Methoxy-phenyl)-isoxazole-5-carboxylic acid ethyl ester
    • BAS 03213369
    • Oprea1_043416
    • Oprea1_806544
    • FNEYQBSORYQAPC-UHFFFAOYSA-N
    • STK786605
    • SBB014334
    • AB0068773
    • ST4134072
    • AX8246372
    • Z4674
    • Ethyl 3-(4-methoxyphenyl)-5-isoxazolecarboxylate
    • SR-
    • DB-385187
    • SR-01000427390-1
    • SR-01000427390
    • SCHEMBL11972337
    • AKOS000668918
    • DS-2846
    • CS-0166772
    • A874038
    • ethyl3-(4-methoxyphenyl)isoxazole-5-carboxylate
    • 376623-69-7
    • DTXSID40354574
    • MDL: MFCD02737742
    • Inchi: 1S/C13H13NO4/c1-3-17-13(15)12-8-11(14-18-12)9-4-6-10(16-2)7-5-9/h4-8H,3H2,1-2H3
    • InChI Key: FNEYQBSORYQAPC-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)OCC)=CC(C2C=CC(=CC=2)OC)=N1

Computed Properties

  • Exact Mass: 247.08449
  • Monoisotopic Mass: 247.08445790g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 276
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 61.6
  • XLogP3: 2.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: No data available
  • Melting Point: No data available
  • Boiling Point: 413.3±40.0°C at 760 mmHg
  • Flash Point: No data available
  • PSA: 61.56
  • Vapor Pressure: No data available

Ethyl 3-(4-methoxyphenyl)isoxazole-5-carboxylate Security Information

Ethyl 3-(4-methoxyphenyl)isoxazole-5-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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$*** 2023-05-30
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